DL-alanine → 2-[(1-Bromo-4-hydroxyisoquinoline-3-carbonyl)amino]propanoic acid
Reaction equation
[CH2:1]([O:2][C:6](=[O:7])[c:8]1[n:9][c:10]([Br:19])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[OH:18])[CH2:3][CH2:4][CH3:5].[CH3:26][O-:27].[CH3:29][OH:30].[NH2:20][CH:21]([CH3:22])[C:23](=[O:24])[OH:25].[Na+:28]>>[C:6](=[O:7])([c:8]1[n:9][c:10]([Br:19])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[OH:18])[NH:20][CH:21]([CH3:22])[C:23](=[O:24])[OH:25]Participants
6
Sources & evidence
- ORD record
- ord-eeba03e96c1849e899ea172a65f34513
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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